(+)-Camphanic acid chloride

C₁₀H₁₃ClO₃CAS 104530-16-7216.66 g/mol

Open in Covalent MOL file

Acyl halide Ester Lactone

Properties

Molecular formula: C₁₀H₁₃ClO₃
Molar mass: 216.66 g/mol
Exact mass: 216.0553 Da
logP: 1.87Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1
Stereocentres: S, Rin SMILES atom order

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

104530-16-7

SMILES

C[C@]12CC[C@](C1(C)C)(OC2=O)C(=O)Cl

InChIKey

PAXWODJTHKJQDZ-ZJUUUORDSA-N

InChI

InChI=1S/C10H13ClO3/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3/t9-,10+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

(1R)-(+)-Camphanic chloride

Work with (+)-Camphanic acid chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

3-Oxa-2-oxobornane-4-carbonyl chloride39637-74-6Enantiomer

Similar compounds

(1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid13429-83-962 % similar (+)-Camphanic acid67111-66-462 % similar Ethyl hexafluoroglutaryl chloride18381-53-833 % similar 2-(Acetyloxy)-2-methylpropanoyl chloride40635-66-333 % similar Pivaloyl chloride3282-30-232 % similar 3-Chloro-2,2-dimethylpropanoyl chloride4300-97-432 % similar 6,6-Dimethyl-5,7-dioxaspiro(2.5)octane-4,8-dione5617-70-932 % similar 2,2-Dimethylbutanoyl chloride5856-77-932 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3,4,5-Trimethoxybenzyl chloride3840-30-0

Elsewhere

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